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xyz_file_parser.h File Reference

Functionality for parsing a file in xyz file format, storing the result as a molecule object. More...

#include "realtype.h"
#include "molecule.h"

Go to the source code of this file.

Functions

int readMoleculeFileInXyzFormat (Molecule &result, const char *fileName, int netCharge, bool expectPlainCharges)
 

Detailed Description

Functionality for parsing a file in xyz file format, storing the result as a molecule object.

Author
: Elias Rudberg responsible

Function Documentation

◆ readMoleculeFileInXyzFormat()

int readMoleculeFileInXyzFormat ( Molecule result,
const char *  fileName,
int  netCharge,
bool  expectPlainCharges 
)